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{
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"results": [
{
"id": "mp-1018810",
"created_at": "2022-09-04T14:43:16.650667Z",
"structure_string": "Na4 Cl2\n1.0\n3.556088 0.000000 0.000000\n0.000000 3.556088 0.000000\n0.000000 0.000000 12.592574\nNa Cl\n4 2\ndirect\n0.000000 0.000000 0.226903 Na\n0.000000 0.000000 0.773097 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.359178 Cl\n0.500000 0.500000 0.640822 Cl\n",
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{
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"volume": 1469.6618380451084,
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"formula_full": "Cu6 Hg18 As12 Cl18",
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"updated_at": "2021-11-28T01:35:08.627000Z",
"spacegroup": 15
},
{
"id": "mp-1185658",
"created_at": "2022-09-04T14:43:41.015974Z",
"structure_string": "Mg16 Al12 Cr1\n1.0\n5.239491 -7.366750 0.000000\n5.239491 7.366750 0.000000\n-5.118197 0.000000 7.451532\nMg Al Cr\n16 12 1\ndirect\n0.590771 0.293006 0.590771 Mg\n0.003930 0.653479 0.003930 Mg\n0.318599 0.717072 0.318599 Mg\n0.992657 0.992657 0.992657 Mg\n0.401912 0.002402 0.683983 Mg\n0.293006 0.590771 0.590771 Mg\n0.683983 0.401912 0.002402 Mg\n0.653479 0.003930 0.003930 Mg\n0.318599 0.318599 0.717072 Mg\n0.002402 0.683983 0.401912 Mg\n0.401912 0.683983 0.002402 Mg\n0.717072 0.318599 0.318599 Mg\n0.003930 0.003930 0.653479 Mg\n0.002402 0.401912 0.683983 Mg\n0.590771 0.590771 0.293006 Mg\n0.683983 0.002402 0.401912 Mg\n0.640439 0.827892 0.640439 Al\n0.813958 0.188940 0.813958 Al\n0.186432 0.003432 0.367631 Al\n0.003432 0.367631 0.186432 Al\n0.640439 0.640439 0.827892 Al\n0.003432 0.186432 0.367631 Al\n0.813958 0.813958 0.188940 Al\n0.188940 0.813958 0.813958 Al\n0.367631 0.186432 0.003432 Al\n0.827892 0.640439 0.640439 Al\n0.186432 0.367631 0.003432 Al\n0.367631 0.003432 0.186432 Al\n0.299982 0.299982 0.299982 Cr\n",
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"density": 2.207363134677898,
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"volume": 575.2287671655986,
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"formula_full": "Mg16 Al12 Cr1",
"formula_reduced": "Mg16Al12Cr",
"formula_anonymous": "AB12C16",
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{
"id": "mp-608081",
"created_at": "2022-09-04T14:43:10.028777Z",
"structure_string": "Rb6 Pb8 Au2\n1.0\n6.981717 0.000000 0.000000\n0.000000 7.172154 0.000000\n0.000000 0.000000 15.671878\nRb Pb Au\n6 8 2\ndirect\n0.993811 0.500000 0.500000 Rb\n0.604139 0.500000 0.694063 Rb\n0.006189 0.000000 0.000000 Rb\n0.395861 0.000000 0.805937 Rb\n0.395861 0.000000 0.194063 Rb\n0.604139 0.500000 0.305937 Rb\n0.551279 0.729619 0.000000 Pb\n0.140123 0.000000 0.604345 Pb\n0.448721 0.770381 0.500000 Pb\n0.551279 0.270381 0.000000 Pb\n0.859877 0.500000 0.895655 Pb\n0.859877 0.500000 0.104345 Pb\n0.448721 0.229619 0.500000 Pb\n0.140123 0.000000 0.395655 Pb\n0.792752 0.000000 0.500000 Au\n0.207248 0.500000 0.000000 Au\n",
"nsites": 16,
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"elements": [
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],
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"density": 5.426150116224972,
"density_atomic": 0.02038858534275318,
"volume": 784.7528276740868,
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"formula_full": "Rb6 Pb8 Au2",
"formula_reduced": "Rb3Pb4Au",
"formula_anonymous": "AB3C4",
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"updated_at": "2021-11-28T01:36:01.942000Z",
"spacegroup": 59
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{
"id": "mp-1095779",
"created_at": "2022-09-04T14:40:19.969253Z",
"structure_string": "Al1 Ga1 Ni2\n1.0\n-4.708109 4.710109 6.651907\n4.708109 -4.710109 6.651907\n4.708109 4.710109 -6.651907\nAl Ga Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Ga\n0.750584 0.000000 0.750584 Ni\n0.249416 0.000000 0.249416 Ni\n",
"nsites": 4,
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],
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"density": 0.6025104288935254,
"density_atomic": 0.00677916750326429,
"volume": 590.0429511549802,
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"formula_full": "Al1 Ga1 Ni2",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "mp-971948",
"created_at": "2022-09-04T14:43:14.972314Z",
"structure_string": "Zn3 Co1\n1.0\n-1.818701 1.818701 3.954257\n1.818701 -1.818701 3.954257\n1.818701 1.818701 -3.954257\nZn Co\n3 1\ndirect\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Co\n",
"nsites": 4,
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"elements": [
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"volume": 52.31756163435478,
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"formula_full": "Zn3 Co1",
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{
"id": "mp-1221105",
"created_at": "2022-09-04T14:45:20.510517Z",
"structure_string": "Na1 C1 N1\n1.0\n3.366311 0.000000 0.000000\n0.000000 3.366311 0.000000\n0.000000 0.000000 4.983098\nNa C N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 C\n0.500000 0.500000 0.000000 N\n",
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{
"id": "mp-981310",
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"structure_string": "Tl6 Ge2\n1.0\n3.523770 -6.103348 0.000000\n3.523770 6.103348 0.000000\n0.000000 0.000000 5.349991\nTl Ge\n6 2\ndirect\n0.172900 0.345799 0.250000 Tl\n0.654201 0.827100 0.250000 Tl\n0.172900 0.827100 0.250000 Tl\n0.827100 0.654201 0.750000 Tl\n0.345799 0.172900 0.750000 Tl\n0.827100 0.172900 0.750000 Tl\n0.333333 0.666667 0.750000 Ge\n0.666667 0.333333 0.250000 Ge\n",
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"formula_full": "Tl6 Ge2",
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{
"id": "mp-1016596",
"created_at": "2022-09-04T14:42:12.023821Z",
"structure_string": "Mg12 Nb2 Ga2\n1.0\n4.864036 0.000000 0.000000\n0.000000 6.268961 0.000000\n0.000000 0.000000 10.772597\nMg Nb Ga\n12 2 2\ndirect\n0.000000 0.252987 0.081559 Mg\n0.000000 0.747013 0.081559 Mg\n0.000000 0.500000 0.833240 Mg\n0.500000 0.243349 0.913500 Mg\n0.500000 0.756651 0.913500 Mg\n0.500000 0.500000 0.666590 Mg\n0.000000 0.752987 0.581559 Mg\n0.000000 0.247013 0.581559 Mg\n0.000000 0.000000 0.333240 Mg\n0.500000 0.743349 0.413500 Mg\n0.500000 0.256651 0.413500 Mg\n0.500000 0.000000 0.166590 Mg\n0.000000 0.500000 0.326061 Nb\n0.000000 0.000000 0.826061 Nb\n0.500000 0.500000 0.183993 Ga\n0.500000 0.000000 0.683993 Ga\n",
"nsites": 16,
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"volume": 328.48289679344805,
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"formula_full": "Mg12 Nb2 Ga2",
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{
"id": "mp-1114118",
"created_at": "2022-09-04T14:41:28.709884Z",
"structure_string": "Rb2 Na1 In1 I6\n1.0\n0.000000 6.093500 6.093500\n6.093500 0.000000 6.093500\n6.093500 6.093500 0.000000\nRb Na In I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.758467 0.241533 0.241533 I\n0.241533 0.241533 0.758467 I\n0.241533 0.758467 0.758467 I\n0.241533 0.758467 0.241533 I\n0.758467 0.241533 0.758467 I\n0.758467 0.758467 0.241533 I\n",
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"density": 3.9270958780021257,
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"volume": 452.51235580074996,
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"formula_full": "Rb2 Na1 In1 I6",
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"energy": -27.581784330000005,
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"spacegroup": 225
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{
"id": "mp-971740",
"created_at": "2022-09-04T14:41:17.015980Z",
"structure_string": "Sr6 As2\n1.0\n3.783134 -6.552581 0.000000\n3.783134 6.552581 0.000000\n0.000000 0.000000 5.788072\nSr As\n6 2\ndirect\n0.175623 0.351246 0.250000 Sr\n0.648754 0.824377 0.250000 Sr\n0.175623 0.824377 0.250000 Sr\n0.824377 0.648754 0.750000 Sr\n0.351246 0.175623 0.750000 Sr\n0.824377 0.175623 0.750000 Sr\n0.333333 0.666667 0.750000 As\n0.666667 0.333333 0.250000 As\n",
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{
"id": "mp-1021712",
"created_at": "2022-09-04T14:39:15.301994Z",
"structure_string": "Mg12 V2 Sn2\n1.0\n5.025876 0.000000 0.000000\n0.000000 6.366635 0.000000\n0.000000 0.000000 10.797239\nMg V Sn\n12 2 2\ndirect\n0.000000 0.247575 0.082148 Mg\n0.000000 0.752425 0.082148 Mg\n0.000000 0.500000 0.834295 Mg\n0.500000 0.244639 0.914699 Mg\n0.500000 0.755361 0.914699 Mg\n0.500000 0.500000 0.667231 Mg\n0.000000 0.747575 0.582148 Mg\n0.000000 0.252425 0.582148 Mg\n0.000000 0.000000 0.334295 Mg\n0.500000 0.744639 0.414699 Mg\n0.500000 0.255361 0.414699 Mg\n0.500000 0.000000 0.167231 Mg\n0.000000 0.500000 0.332276 V\n0.000000 0.000000 0.832276 V\n0.500000 0.500000 0.172503 Sn\n0.500000 0.000000 0.672503 Sn\n",
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"elements": [
"Mg",
"V",
"Sn"
],
"chemical_system": "Mg-Sn-V",
"density": 3.0326239029340814,
"density_atomic": 0.0463111479358907,
"volume": 345.4891686586795,
"volume_molar": 13.003652529487175,
"formula_full": "Mg12 V2 Sn2",
"formula_reduced": "Mg6VSn",
"formula_anonymous": "ABC6",
"energy": -44.12688382,
"energy_per_atom": -2.75793023875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.12688382,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.4773794,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.443000Z",
"spacegroup": 38
}
]
}